3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole

C30H17Br2NO — CID 169284938

IUPAC3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C30H17Br2NO/c31-18-12-14-27-24(16-18)25-17-19(32)13-15-28(25)33(27)26-10-3-1-6-20(26)22-8-5-9-23-21-7-2-4-11-29(21)34-30(22)23/h1-17H
InChIKeyRLCIKRVZKPPDQX-UHFFFAOYSA-N
MW567.28 g/mol
LogP9.88
Rot. Bonds2

About 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole

3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 169284938) has the molecular formula C30H17Br2NO and a molecular weight of 567.28 g/mol. Its IUPAC name is 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
PubChem CID169284938
Molecular FormulaC30H17Br2NO
Molecular Weight567.28 g/mol
Exact Mass564.97
IUPAC Name3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C30H17Br2NO/c31-18-12-14-27-24(16-18)25-17-19(32)13-15-28(25)33(27)26-10-3-1-6-20(26)22-8-5-9-23-21-7-2-4-11-29(21)34-30(22)23/h1-17H
InChIKeyRLCIKRVZKPPDQX-UHFFFAOYSA-N
XLogP9.88
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.28
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
9-(2-dibenzofuran-4-ylphenyl)-2,7-diphenyl-3,6-bis(2-phenylphenyl)carbazole
CID 166010977
9-(2-dibenzofuran-4-ylphenyl)-3-(4-phenyldibenzofuran-3-yl)-6-(2-phenylphenyl)carbazole
CID 166011013
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole (CID 169284938) is 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is RLCIKRVZKPPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17Br2NO/c31-18-12-14-27-24(16-18)25-17-19(32)13-15-28(25)33(27)26-10-3-1-6-20(26)22-8-5-9-23-21-7-2-4-11-29(21)34-30(22)23/h1-17H.
What are the key properties of 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole?
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 567.28 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 169284938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).